3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide

C21H21F6N5O2 — CID 138562354

IUPAC3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide
SMILESCNC(=O)C(C)(C)C(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C21H21F6N5O2/c1-10-5-6-11(19(34,21(25,26)27)18(2,3)17(33)29-4)7-12(10)13-8-30-16-15(28)31-14(9-32(13)16)20(22,23)24/h5-9,34H,1-4H3,(H2,28,31)(H,29,33)
InChIKeyLAFXZKRNVAFLJU-UHFFFAOYSA-N
MW489.42 g/mol
LogP3.83
Rot. Bonds4

About 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide

3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide (PubChem CID 138562354) has the molecular formula C21H21F6N5O2 and a molecular weight of 489.42 g/mol. Its IUPAC name is 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide
PubChem CID138562354
Molecular FormulaC21H21F6N5O2
Molecular Weight489.42 g/mol
Exact Mass489.16
IUPAC Name3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide
SMILESCNC(=O)C(C)(C)C(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C21H21F6N5O2/c1-10-5-6-11(19(34,21(25,26)27)18(2,3)17(33)29-4)7-12(10)13-8-30-16-15(28)31-14(9-32(13)16)20(22,23)24/h5-9,34H,1-4H3,(H2,28,31)(H,29,33)
InChIKeyLAFXZKRNVAFLJU-UHFFFAOYSA-N
XLogP3.83
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.42
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide with MolForge

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Related Compounds

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138561369
CID 142562208
CID 142562208
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol
CID 138562415
2-[3-[8-amino-6-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-(trideuteriomethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 138561909
8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 138561869
2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 158650156
[4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
CID 174242958
2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 138619508
3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146456825
3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide
CID 146456826
8-amino-N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 166756579
(2,2,2-trifluoroacetyl) 3-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfamoyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 140831812

Frequently Asked Questions

What is the IUPAC name of 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide?
The IUPAC name of 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide (CID 138562354) is 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide.
What is the SMILES notation for 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide?
The canonical SMILES for 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide is CNC(=O)C(C)(C)C(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F.
What is the InChIKey of 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide?
The InChIKey is LAFXZKRNVAFLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F6N5O2/c1-10-5-6-11(19(34,21(25,26)27)18(2,3)17(33)29-4)7-12(10)13-8-30-16-15(28)31-14(9-32(13)16)20(22,23)24/h5-9,34H,1-4H3,(H2,28,31)(H,29,33).
What are the key properties of 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide?
3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide has a molecular weight of 489.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide is sourced from PubChem (CID 138562354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).